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Suriclone

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Chemistry

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Also known as: Suril, 53813-83-5, Celexane, Rp 31264, Rp-31264, Lnc9g689vr

Molecular Formula

C₂₀H₂₀ClN₅O₃S₂

Molecular Weight

478.0 g/mol

InChI Key

RMXOUBDDDQUBKD-UHFFFAOYSA-N

FDA UNII

LNC9G689VR

1 2D Structure

Suriclone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2H-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C20H20ClN5O3S2/c1-24-6-8-25(9-7-24)20(28)29-19-16-15(30-10-11-31-16)18(27)26(19)14-5-3-12-2-4-13(21)22-17(12)23-14/h2-5,19H,6-11H2,1H3

2.1.3 InChI Key

RMXOUBDDDQUBKD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl)SCCS3

2.2 Other Identifiers

2.2.1 UNII

LNC9G689VR

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (8-(7-chloro(1,8)naphthyridin-2-yl)-7-oxo-2,5-dithia-8-azabicyclo(4.3.0)non-10-en-9-yl) 4-methylpiperazine-1-carboxylate

2. 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-(1,4)dithiino(2,3-c)pyrrol-5-yl-4-methylpiperazine-1-carboxylate

3. Rp 31264

4. Rp-3124

5. Rp-31264

2.3.2 Depositor-Supplied Synonyms

1. Suril

2. 53813-83-5

3. Celexane

4. Rp 31264

5. Rp-31264

6. Lnc9g689vr

7. Celexane; Rp 31264; Suriclone

8. Suriclonum

9. Suriclon

10. Suriclona

11. Suriclon [inn-french]

12. Suriclonum [inn-latin]

13. Suriclona [inn-spanish]

14. Einecs 258-794-1

15. 6-(7-chloro-1,8-naphthyridin-2-yl)-7-oxo-2,3,6,7-tetrahydro-5h-[1,4]dithiino[2,3-c]pyrrol-5-yl 4-methylpiperazine-1-carboxylate

16. Suriclone [inn:ban]

17. Unii-lnc9g689vr

18. Suriclone [inn]

19. Suriclone [mi]

20. Suriclone [mart.]

21. (r,s)-6-(7-chlor-1,8-naphthyridin-2-yl)-3,5,6,7-tetrahydro-5-oxo-2h-(1,4)dithixino(2,3-c)pyrrol-7-yl-4-methyl-1-piperazinylcarboxylat

22. [6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methylpiperazine-1-carboxylate

23. Schembl114688

24. Chembl2105561

25. Dtxsid20866362

26. 31264-rp

27. 4-methyl-1-piperazinecarboxylic Acid Ester With (+-)-6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-hydroxy-5h-p-dithiino(2,3-c)pyrrol-5-one

28. Q7646277

29. 1-piperazinecarboxylic Acid, 4-methyl-, 6-(7-chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5h-1,4-dithiino(2,3-c)pyrrol-5-yl Ester

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀ClN₅O₃S₂
Molecular Weight	478.0 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	477.0696096 g/mol
Monoisotopic Mass	477.0696096 g/mol
Topological Polar Surface Area	130 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	763
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Anxiety Agents

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)

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